title: The (CH2)2O-H2O hydrogen bonded complex. Ab Initio calculations and Fourier transform infrared spectroscopy from neon matrix and a new supersonic jet experiment coupled to the infrared AILES beamline of synchrotron SOLEIL.
abstract: A series of hydrogen bonded complexes involving oxirane and water molecules have been studied. In this paper we report on the vibrational study of the oxirane-water complex (CH(2))(2)O-H(2)O. Neon matrix experiments and ab initio anharmonic vibrational calculations have been performed, providing a consistent set of vibrational frequencies and anharmonic coupling constants. The implementation of a new large flow supersonic jet coupled to the Bruker IFS 125 HR spectrometer at the infrared AILES beamline of the French synchrotron SOLEIL (Jet-AILES) enabled us to record first jet-cooled Fourier transform infrared spectra of oxirane-water complexes at different resolutions down to 0.2 cm(-1). Rovibrational parameters and a lower bound of the predissociation lifetime of 25 ps for the v(OH)(b) = 1 state have been derived from the rovibrational analysis of the ν(OH)(b) band contour recorded at respective rotational temperatures of 12 K (Jet-AILES) and 35 K (LADIR jet).
authors.affiliation: UPMC Université Paris 06, UMR 7075, Laboratoire de Dynamique, Interactions et Réactivité (LADIR), Paris, France.
authors.forename: M
authors.initials: M
authors.lastname: Cirtog
authors.forename: P
authors.initials: P
authors.lastname: Asselin
authors.forename: P
authors.initials: P
authors.lastname: Soulard
authors.forename: B
authors.initials: B
authors.lastname: Tremblay
authors.forename: B
authors.initials: B
authors.lastname: Madebène
authors.forename: M E
authors.initials: ME
authors.lastname: Alikhani
authors.forename: R
authors.initials: R
authors.lastname: Georges
authors.forename: A
authors.initials: A
authors.lastname: Moudens
authors.forename: M
authors.initials: M
authors.lastname: Goubet
authors.forename: T R
authors.initials: TR
authors.lastname: Huet
authors.forename: O
authors.initials: O
authors.lastname: Pirali
authors.forename: P
authors.initials: P
authors.lastname: Roy